SCHEMBL668428

SCHEMBL668428

COC(=O)c1cc[c]nc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.40
XDH P47989 1/20 0.40
CYP4A11 Q02928 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2438595 0.80 CA12 (0.40) ALDH1A1TSHRCA1CA2CA12
SCHEMBL2350330 0.80 CA12 (0.49) ALDH1A1TSHRCA1CA2CA12
SCHEMBL969161 0.78
SCHEMBL7969069 0.78 LMNA (0.53) ALDH1A1MAPK1KDM4EL3MBTL1TSHR
SCHEMBL23036829 0.77 DGAT1 (0.32)
SCHEMBL12471367 0.75 ALDH1A1 (0.47) ALDH1A1MAPK1KDM4EL3MBTL1TSHR
SCHEMBL3029967 0.75 HPGD (0.50) ALDH1A1MAPK1KDM4EL3MBTL1LOXL2
SCHEMBL7966420 0.75 L3MBTL1 (0.58) ALDH1A1MAPK1L3MBTL1TSHRTDP1
SCHEMBL10387955 0.74 LMNA (0.58) ALDH1A1MAPK1L3MBTL1TSHRMAPT
SCHEMBL126899 0.74

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 269 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334315-A1 ALKYLAMIDE SUBSTITUTED, ANNULATED IMIDAZOLES AND USE THEREOF AS INSECTICIDES Bayer Aktiengesellschaft (DE) 2024-03-13 EP claimed
CN-117597344-A Alkylamide substituted cyclic imidazoles and their use as pesticides 拜耳公司 2024-02-23 CN claimed
EP-3784661-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-11-22 EP claimed
EP-3904350-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2023-08-23 EP claimed
EP-3904349-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}HETEROCYCLYL AMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-08-23 EP claimed
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 US claimed
EP-3774778-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2023-01-18 EP claimed
US-11528907-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2022-12-20 US claimed
CN-114867529-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2022-08-05 CN claimed
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-16 US claimed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US claimed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US claimed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO claimed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO claimed
EP-1723135-A1 NOVEL HYDROXY-6-HEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-22 EP claimed
WO-2005085225-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-15 WO claimed
EP-0674637-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1998-09-23 EP claimed
US-5731323-A Quinuclidine derivatives as squalene synthase inhibitors ZENECA LIMITED (GB) 1998-03-24 US claimed
EP-0674637-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP claimed
WO-1994014805-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11528907-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides CYP4F3, TARS2, TH ALDH1A1 4084/4885MAPK1 4668/4885KDM4E 2912/4885
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, CYP4X1 ALDH1A1 3918/4885MAPK1 4631/4885KDM4E 2663/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885MAPK1 1010/4885KDM4E 1156/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885MAPK1 841/4885KDM4E 2578/4885
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 ALDH1A1 4213/4885MAPK1 4495/4885KDM4E 2788/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.